methyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(3-chlorobenzothiophene-2-carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C25H20ClNO3S2 MolecularWeight: 482.0142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C25H20ClNO3S2/c1-30-25(29)20-16-12-11-15(14-7-3-2-4-8-14)13-19(16)32-24(20)27-23(28)22-21(26)17-9-5-6-10-18(17)31-22/h2-10,15H,11-13H2,1H3,(H,27,28)